Geometry & MOs

Info

ID:	64173
PubChem CID:	29197782
Reduced:	SO3N4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	455.211687
ΔH_f, kcal/mol:	-77.35
Dipole, Da:	7.28
IP(EA), eV:	-8.3(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[[(2R)-2-(1H-indol-3-yl)-2-pyrrolidin-1-ium-1-ylethyl]sulfamoyl]-2,6-dimethylphenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C)C)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)N4CCCC4

DOS

IR

Vibrations